add-on to plotly which show molecule images on mouseover!

Graph-based molecule modeling toolkit for cheminformatics

The MinHashed Atom Pair fingerprint of radius 2

Simple package for fast molecular similarity searches

Clone of ChemoPy package with depracation errors fixed.

⚗ A package useful for chemistry written in Python

This repository contains my implementations of various APIs and data acquisition methods with a focus on CADD.

Repository for the article Statistical-Based Database Fingerprint: Chemical space dependent representation of compound databases

Extended Connectivity Interaction Features

Repository for the work Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database.

Tutoriales de Quimioinformática aplicada al diseño de fármacos